SCHEMBL7474034

SCHEMBL7474034

COC(=O)c1ccc2n[c]n(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.46
ALOX15 P16050 2/20 0.46
KDM4E B2RXH2 5/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
XDH P47989 1/20 0.44
FGFR1 P11362 1/20 0.43
ACSS2 Q9NR19 1/20 0.42
CASP3 P42574 1/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5983869 0.88 KDM4E (0.50) HTTALOX15KDM4ECA12CA1
SCHEMBL3649032 0.84 CA12 (0.48) HTTKDM4ECA12CA1CA2
SCHEMBL3648771 0.82 ACSS2 (0.49) ACSS2SMN1; SMN2TDP1
SCHEMBL3651101 0.79 ACSS2 (0.42) ACSS2LMNAHPGDGAASMN1; SMN2
SCHEMBL2881811 0.74 KDM4E (0.51) HTTALOX15KDM4ECA12CA1
SCHEMBL29555125 0.74 FGFR1 (0.53) HTTALOX15KDM4ECA12CA1
SCHEMBL2884485 0.74 HCAR3 (0.53) HTTALOX15KDM4ECA12CA1
SCHEMBL3492748 0.74 FGFR1 (0.53) HTTALOX15KDM4ECA12CA1
SCHEMBL31721245 0.73 HTT (0.49) HTTALOX15KDM4ECA12CA1
SCHEMBL3596405 0.73 NPC1 (0.61) HTTALOX15KDM4ECA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed